Geometry & MOs

Info

ID:	437967
PubChem CID:	135227420
Reduced:	N2O2F3C23H23 (1)
Stoich.:	A2B2C3D23E23 (1)
Weight, g/mol:	450.122498
ΔH_f, kcal/mol:	-149.72
Dipole, Da:	6.72
IP(EA), eV:	-9.22(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]-4-[3-methyl-4-(trifluoromethoxy)phenyl]phenyl] acetate

Drug info:

PubChemData

Smile

C/C(=C\C=NC=C)/CN(CC1=C(C=CC(=C1)C2=CC=C(C=C2)C(F)(F)F)OC)C=O

DOS

IR

Vibrations